2,367 research outputs found
Monte Carlo Hamiltonian - From Statistical Physics to Quantum Theory
Monte Carlo techniques have been widely employed in statistical physics as
well as in quantum theory in the Lagrangian formulation. However, in some areas
of application to quantum theories computational progress has been slow. Here
we present a recently developed approach: the Monte Carlo Hamiltonian method,
designed to overcome the difficulties of the conventional approach.Comment: StatPhys-Taiwan-1999, 6 pages, LaTeX using elsart.cl
New methodologies to characterize the effectiveness of the gene transfer mediated by DNA-chitosan nanoparticles
In this work three DNA-chitosan nanoparticle formulations (Np), differing in the
molecular weight (MW; 150 kDa, 400 kDa, and 600 kDa) of the polysaccharide, were prepared
and administered by two different administration routes: the hydrodynamics-based procedure
and the intraduodenal injection. After the hydrodynamic injection, DNA-chitosan nanoparticles
were predominantly accumulated in the liver, where the transgene was expressed during at least
105 days. No signifi cant infl uence of MW was observed on the levels of luciferase expression.
The curves of bioluminescence versus time obtained using the charge-coupled device (CCD)
camera were described and divided in three phases: (i) the initial phase, (ii) the sustained
release step and (iii) the decline phase (promotor inactivation, immunological and physiological
processes). From these curves, which describe the transgene expression profi le, the behavior of
the different formulations as gene delivery systems was characterized. Therefore, the following
parameters such as Cmax (maximum level of detected bioluminescence), AUC (area under the
bioluminescence-time curve) and MET (mean time of the transgene expression) were calculated.
This approach offers the possibility of studying and comparing transgene expression kinetics
among a wide variety of gene delivery systems. Finally, the intraduodenal administration of
naked DNA permitted the gene transfer in a dose dependent manner quantifi able with the CCD
camera within 3 days. Nevertheless, the same administration procedure of the three formulations
did not improve the levels of transgene expression obtained with naked DNA. This fact could
be explained by the rapid physiological turn-over of enterocytes and by the ability of chitosan
nanoparticles to control the DNA release
Quantum Step Heights in Hysteresis Loops of Molecular Magnets
We present an analytical theory on the heights of the quantum steps observed
in the hysteresis loops of molecular magnets. By considering the dipolar
interaction between molecular spins, our theory successfully yields the step
heights measured in experiments, and reveals a scaling law for the dependence
of the heights on the sweeping rates hidden in the experiment data on Fe
and Mn. With this theory, we show how to accurately determine the tunnel
splitting of a single molecular spin from the step heights.Comment: 4 pages, 5 figure
Correctly validating results from single molecule data: the case of stretched exponential decay in the catalytic activity of single lipase B molecules
The question of how to validate and interpret correctly the waiting time
probability density functions (WT-PDFs) from single molecule data is addressed.
It is shown by simulation that when a stretched exponential WT-PDF, with a
stretched exponent alfa and a time scale parameter tau, generates the off
periods of a two-state trajectory, a reliable recovery of the input WT-PDF from
the trajectory is obtained even when the bin size used to define the
trajectory, dt, is much larger than the parameter tau. This holds true as long
as the first moment of the WT-PDF is much larger than dt. Our results validate
the results in an earlier study of the activity of single Lipase B molecules
and disprove recent related critique
Impact of eV-mass sterile neutrinos on neutrino-driven supernova outflows
Motivated by recent hints for sterile neutrinos from the reactor anomaly, we
study active-sterile conversions in a three-flavor scenario (2 active + 1
sterile families) for three different representative times during the
neutrino-cooling evolution of the proto-neutron star born in an
electron-capture supernova. In our "early model" (0.5 s post bounce), the
nu_e-nu_s MSW effect driven by Delta m^2=2.35 eV^2 is dominated by ordinary
matter and leads to a complete nu_e-nu_s swap with little or no trace of
collective flavor oscillations. In our "intermediate" (2.9 s p.b.) and "late
models" (6.5 s p.b.), neutrinos themselves significantly modify the nu_e-nu_s
matter effect, and, in particular in the late model, nu-nu refraction strongly
reduces the matter effect, largely suppressing the overall nu_e-nu_s MSW
conversion. This phenomenon has not been reported in previous studies of
active-sterile supernova neutrino oscillations. We always include the feedback
effect on the electron fraction Y_e due to neutrino oscillations. In all
examples, Y_e is reduced and therefore the presence of sterile neutrinos can
affect the conditions for heavy-element formation in the supernova ejecta, even
if probably not enabling the r-process in the investigated outflows of an
electron-capture supernova. The impact of neutrino-neutrino refraction is
strong but complicated, leaving open the possibility that with a more complete
treatment, or for other supernova models, active-sterile neutrino oscillations
could generate conditions suitable for the r-process.Comment: 23 pages, including 14 figures and 2 tables (minor changes in the
text). Matches published version in JCA
First-Principles Studies of Hydrogenated Si(111)--77
The relaxed geometries and electronic properties of the hydrogenated phases
of the Si(111)-77 surface are studied using first-principles molecular
dynamics. A monohydride phase, with one H per dangling bond adsorbed on the
bare surface is found to be energetically favorable. Another phase where 43
hydrogens saturate the dangling bonds created by the removal of the adatoms
from the clean surface is found to be nearly equivalent energetically.
Experimental STM and differential reflectance characteristics of the
hydrogenated surfaces agree well with the calculated features.Comment: REVTEX manuscript with 3 postscript figures, all included in uu file.
Also available at http://www.phy.ohiou.edu/~ulloa/ulloa.htm
Augmenting light coverage for photosynthesis through YFP-enhanced charge separation at the Rhodobacter sphaeroides reaction centre.
Photosynthesis uses a limited range of the solar spectrum, so enhancing spectral coverage could improve the efficiency of light capture. Here, we show that a hybrid reaction centre (RC)/yellow fluorescent protein (YFP) complex accelerates photosynthetic growth in the bacterium Rhodobacter sphaeroides. The structure of the RC/YFP-light-harvesting 1 (LH1) complex shows the position of YFP attachment to the RC-H subunit, on the cytoplasmic side of the RC complex. Fluorescence lifetime microscopy of whole cells and ultrafast transient absorption spectroscopy of purified RC/YFP complexes show that the YFP-RC intermolecular distance and spectral overlap between the emission of YFP and the visible-region (QX) absorption bands of the RC allow energy transfer via a Förster mechanism, with an efficiency of 40±10%. This proof-of-principle study demonstrates the feasibility of increasing spectral coverage for harvesting light using non-native genetically-encoded light-absorbers, thereby augmenting energy transfer and trapping in photosynthesis
Phase separating binary fluids under oscillatory shear
We apply lattice Boltzmann methods to study the segregation of binary fluid
mixtures under oscillatory shear flow in two dimensions. The algorithm allows
to simulate systems whose dynamics is described by the Navier-Stokes and the
convection-diffusion equations. The interplay between several time scales
produces a rich and complex phenomenology. We investigate the effects of
different oscillation frequencies and viscosities on the morphology of the
phase separating domains. We find that at high frequencies the evolution is
almost isotropic with growth exponents 2/3 and 1/3 in the inertial (low
viscosity) and diffusive (high viscosity) regimes, respectively. When the
period of the applied shear flow becomes of the same order of the relaxation
time of the shear velocity profile, anisotropic effects are clearly
observable. In correspondence with non-linear patterns for the velocity
profiles, we find configurations where lamellar order close to the walls
coexists with isotropic domains in the middle of the system. For particular
values of frequency and viscosity it can also happen that the convective
effects induced by the oscillations cause an interruption or a slowing of the
segregation process, as found in some experiments. Finally, at very low
frequencies, the morphology of domains is characterized by lamellar order
everywhere in the system resembling what happens in the case with steady shear.Comment: 1 table and 12 figures in .gif forma
First-principles study of the polar O-terminated ZnO surface in thermodynamic equilibrium with oxygen and hydrogen
Using density-functional theory in combination with a thermodynamic formalism
we calculate the relative stability of various structural models of the polar
O-terminated (000-1)-O surface of ZnO. Model surfaces with different
concentrations of oxygen vacancies and hydrogen adatoms are considered.
Assuming that the surfaces are in thermodynamic equilibrium with an O2 and H2
gas phase we determine a phase diagram of the lowest-energy surface structures.
For a wide range of temperatures and pressures we find that hydrogen will be
adsorbed at the surface, preferentially with a coverage of 1/2 monolayer. At
high temperatures and low pressures the hydrogen can be removed and a structure
with 1/4 of the surface oxygen atoms missing becomes the most stable one. The
clean, defect-free surface can only exist in an oxygen-rich environment with a
very low hydrogen partial pressure. However, since we find that the
dissociative adsorption of molecular hydrogen and water (if also the
Zn-terminated surface is present) is energetically very preferable, it is very
unlikely that a clean, defect-free (000-1)-O surface can be observed in
experiment.Comment: 10 pages, 4 postscript figures. Uses REVTEX and epsf macro
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